CHEBI:142802 - 3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1−)

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ChEBI Name 3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1−)
ChEBI ID CHEBI:142802
ChEBI ASCII Name 3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1-)
Definition An organic anion that is the conjugate base of 3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one, arising from the deprotonation of the hydroxy group at position 6; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C14H11O6
Net Charge -1
Average Mass 275.237
Monoisotopic Mass 275.05611
InChI InChI=1S/C14H12O6/c1-14(19)5-10(18)13-7-2-6(15)3-8(16)12(7)9(17)4-11(13)20-14/h2-4,15-17,19H,5H2,1H3/p-1
InChIKey XHAKGHGCOBKEEK-UHFFFAOYSA-M
SMILES C1=C(C2=C(C3=C1OC(CC3=O)(O)C)C=C(C=C2O)O)[O-]
ChEBI Ontology
Outgoing 3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1−) (CHEBI:142802) is a naphtho-γ-pyrone (CHEBI:64542)
3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1−) (CHEBI:142802) is a organic anion (CHEBI:25696)
3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1−) (CHEBI:142802) is conjugate base of 3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one (CHEBI:142801)
Incoming 3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one (CHEBI:142801) is conjugate acid of 3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1−) (CHEBI:142802)
IUPAC Names
3,7,9-trihydroxy-3-methyl-1-oxo-2,3-dihydro-1H-benzo[f]chromen-6-olate
3,7,9-trihydroxy-3-methyl-1-oxo-2,3-dihydro-1H-naphtho[2,1-b]pyran-6-olate
Synonyms Sources
3,6,7,9-tetrahydroxy-3-methyl-1H,2H,3H-naphtho[2,1-b]pyran-1-one(1−) ChEBI
3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-benzo[f]chromen-1-one(1−) ChEBI
3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one UniProt
Citation Waiting for Citations Type Source
26978228 PubMed citation SUBMITTER
Last Modified
30 April 2020